disodium (12C)carbonate

• ChemBase ID: 147838
• Molecular Formular: CNa2O3
• Molecular Mass: 105.97774
• Monoisotopic Mass: 105.96428242
• SMILES: [12C](=O)([O-])[O-].[Na+].[Na+]
• Canonical SMILES: [O-][12C](=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2/i1+0
• InChIKey: CDBYLPFSWZWCQE-GLJCYROLSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium (^1^2C)carbonate
• IUPAC Traditional name: disodium (^1^2C)carbonate
• Synonyms: Sodium carbonate-12C; 碳酸钠-12C

Database IDs

• CAS Number: 497-19-8
• EC Number: 207-838-8
• MDL Number: MFCD00198120
• PubChem SID: 162242021; 24872597
• PubChem CID: 71311308

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 851 °C(lit.)
• Mass Shift: depleted

Safety Information

• RTECS: VZ4050000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36
• Safety Statements: 22-26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Isotopic Purity: 99.9 atom % 12C
• Description: 13C-depleted
• Mol. Weight: mol wt 105.98 by atom % calculation
• Linear Formula: Na212CO3

DETAILS

Sigma Aldrich - 490741

Packaging
5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.